2-[(2S,3S,4R)-1-cyclopentyl-3,4-diethoxy-pyrrolidin-2-yl]ethyl benzoate

Systemtic Name: 2-[(2S,3S,4R)-1-cyclopentyl-3,4-diethoxy-pyrrolidin-2-yl]ethyl benzoate Openeye Name: 2-[(2S,3S,4R)-1-cyclopentyl-3,4-diethoxy-pyrrolidin-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[(2S,3S,4R)-1-cyclopentyl-3,4-diethoxy-2-pyrrolidinyl]ethyl ester IUPAC Name: 2-[(2S,3S,4R)-1-cyclopentyl-3,4-diethoxypyrrolidin-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2S,3S,4R)-1-cyclopentyl-3,4-diethoxy-pyrrolidin-2-yl]ethyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(C(C1OCC)CCOC(=O)C2=CC=CC=C2)C3CCCC3

Isomeric SMILES

CCO[C@@H]1CN([C@H]([C@@H]1OCC)CCOC(=O)C2=CC=CC=C2)C3CCCC3

InChI

InChI=1S/C22H33NO4/c1-3-25-20-16-23(18-12-8-9-13-18)19(21(20)26-4-2)14-15-27-22(24)17-10-6-5-7-11-17/h5-7,10-11,18-21H,3-4,8-9,12-16H2,1-2H3/t19-,20+,21-/m0/s1